N-[(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamothioyl]benzamide

Systemtic Name: N-[(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamothioyl]benzamide Openeye Name: N-[(3-cyano-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamothioyl]benzamide CAS Name: N-[[(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamothioyl]benzamide Traditional Name: N-[(3-cyano-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)thiocarbamoyl]benzamide Formula: C19H21N4OS2+ MolecularWeight: 385.52624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+]1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4OS2/c1-12(2)23-9-8-14-15(10-20)18(26-16(14)11-23)22-19(25)21-17(24)13-6-4-3-5-7-13/h3-7,12H,8-9,11H2,1-2H3,(H2,21,22,24,25)/p+1